Mol:FL3FECGS0048
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -0.7145 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -3.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -3.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6058 2.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1933 2.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7735 1.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4015 1.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8214 2.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2339 2.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0204 3.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0225 3.4176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9798 2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 0.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 1 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 2 1 0 0 0 0 7 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 7 1 0 0 0 0 3 17 2 0 0 0 0 14 33 1 0 0 0 0 13 18 1 0 0 0 0 11 19 1 0 0 0 0 10 20 1 0 0 0 0 9 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 20 34 1 0 0 0 0 S SKP 8 ID FL3FECGS0048 KNApSAcK_ID C00013693 NAME Nepetin 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one CAS_RN 112208-83-0 FORMULA C22H22O12 EXACTMASS 478.111126168 AVERAGEMASS 478.40288000000004 SMILES OC(C4O)C(OC(CO)C4O)Oc(c(O)3)ccc(c3)C(O1)=CC(=O)c(c(O)2)c(cc(O)c2OC)1 M END
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